A Program Package for Charge Density Research

A project was initiated at the 1992 Gordon Research Conference on Electron Distributions and Chemical Bonding, to develop a new computer program package for multipole refinements with high-resolution X-ray diffraction data, and for analysis of electrostatic properties of molecules, including the topology of the charge density. The project has been adopted as an official project of the IUCr Commission on Charge, Spin, and Momentum Densities. The work will be coordinated by T. Koritsanszky at FU-Berlin, with the aid of a programming assistant, T. Richter. Financial sponsorship from the U. of Glasgow, UK, and other subscribers, will enable the work to begin in Mar. 1993. It is intended that the members of the project team will meet periodically to discuss scientific input, which is invited from prospective users of the package. We also hope to enable individual team members to spend periods of up to a few weeks in Berlin.

The project secretary is P. Mallinson, Chem. Dept., U. of Glasgow, UK. e-mail: paul@chem1.gla.ac.uk; FAX: 4441 330 4888; Tel.: 44 41 3398855 ext. 4409.

The project leader is T. Koritsanszky, Inst. for Cryst., Free U. of Berlin, Takustr. 6, Berlin 33, Germany. Tel.: 49 308386779; e-mail: tibor@kristall.chemie.fu-berlin.de.